Glycoside
GD135333
Name:
5-hydroxy-7-{[5-({5-[(5-hydroxy-4-methoxy-6-methyloxan-2-yl)oxy]-4-methoxy-6-methyloxan-2-yl}oxy)-4-methoxy-6-methyloxan-2-yl]oxy}-2,4b-dimethyl-2-(2-methylfuran-3-yl)-1,2,3,4,4a,4b,5,6,7,8,10,10a-dodecahydrophenanthrene-1,6-dioneFormula:
C42H62O14Smiles:
COC1CC(OC2C(C)OC(OC3C(C)OC(OC4CC5=CCC6C(=O)C(C)(c7ccoc7C)CCC6C5(C)C(O)C4=O)CC3OC)CC2OC)OC(C)C1OAglycone:
Cc1occc1C1(C)CCC2C(CC=C3CC(O)C(=O)C(O)C32C)C1=OSugarmoiety:
COC1CC(OC2C(C)OC(OC3C(C)OC(O)CC3OC)CC2OC)OC(C)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 7 |
| HBD: | 2 | FractionCSP3: | 0.81 |
| AlogP: | 4.08 | Num_rotatable_bonds: | 10 |
| MolWt: | 790.94 | Num_heavy_atoms: | 56 |
| TPSA: | 170.81 | NumAromaticRings: | 1 |
Unique Aglycone
AD54725
Formula: C21H26O5
Smiles:
Cc1occc1C1(C)CCC2C(CC=C3CC(O)C(=O)C(O)C32C)C1=O| HBA: | 5 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.62 |
| AlogP: | 2.47 | Num_rotatable_bonds: | 1 |
| MolWt: | 358.43 | Num_heavy_atoms: | 26 |
| TPSA: | 87.74 | NumAromaticRings: | 1 |
